CC(C)C(C(=O)O)c1cc2cc(F)ccc2s1
SMILES: CC(C)C(C(=O)O)c1cc2cc(F)ccc2s1

Molecular Processing

Molecular formula
C13H13FO2S
Molecular weight
252.31
Exact mass
252.062
XLogP
3.86
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
67

Supplementary Information

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